E986-0257 Screening compound: 1-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl-1,4-butanedione

E986-0257 Screening compound: 1-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl-1,4-butanedione
E986-0257 Screening compound: 1-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl-1,4-butanedione alternative view

Chemical Structure Depiction of ChemDiv screening compound E986-0257
1-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl-1,4-butanedione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E986-0257

Molecular Formula

C23H25N3O5 (C23 H25 N3 O5)

Compound Name

1-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl-1,4-butanedione

IUPAC name

1-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-4-{2-oxa-49-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-9-yl}butane-14-dione

SMILES

O=C(CCC(N(C1)c(cccn2)c2Oc2c1cccc2)=O)N(CC1)CCC11OCCO1

InChI

InChI=1S/C23H25N3O5/c27-20(25-12-9-23(10-13-25)29-14-15-30-23)7-8-21(28)26-16-17-4-1-2-6-19(17)31-22-18(26)5-3-11-24-22/h1-6,11H,7-10,12-16H2

InChI Key

UHYBLINOCJDECA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.747

Distribution Coefficient, logD

1.747

Water Solubility, LogSw

-1.97

Polar Surface Area

62.978

Acid Dissociation Constant (pKa)

21.35

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

E986-0257 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E986-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E986-0257?
Check Price and Availability of E986-0257, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E986-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E986-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E986-0257
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E986-0257 available by request